The discovery of superconductivity at 203 K in H3S 1 brought attention back to conventional superconductors whose properties can be described by the Bardeen-Cooper-Schrieffer (BCS) and the Migdal-Eliashberg theories. These theories predict that high, and even room temperature superconductivity (RTSC) is possible in metals possessing certain favorable parameters such as lattice vibrations at high frequencies. However, these general theories do not suffice to predict real superconductors. New superconducting materials can be predicted now with the aid of first principles calculations based on Density Functional Theory (DFT). In particular, the calculations suggested a new family of hydrides possessing a clathrate structure, where the host atom (Ca, Y, La) is at the center of the cage formed by hydrogen atoms 2-4 . For LaH10 and YH10 superconductivity, with critical temperatures Tc ranging between 240 and 320 K is predicted at megabar pressures 3-6 . Here, we report superconductivity with a record Tc 250 K within the Fm3m structure of LaH10 at a pressure P 170 GPa. We proved the existence of superconductivity at 250 K through the observation of zero-resistance, isotope effect, and the decrease of Tc under an external magnetic field, which suggests an upper critical magnetic field of 120 T at zerotemperature. The pressure dependence of the transition temperatures Tc (P) has a maximum of 250-252 K at the pressure of about 170 GPa. This leap, by 50 K, from the previous Tc record of 203 K 1 indicates the real possibility of achieving RTSC (that is at 273 K) in the near future at high pressures and the perspective of conventional superconductivity at ambient pressure.
The discovery of superconducting H3S with a critical temperature Tc∼200 K opened a door to room temperature superconductivity and stimulated further extensive studies of hydrogen-rich compounds stabilized by high pressure. Here, we report a comprehensive study of the yttrium-hydrogen system with the highest predicted Tcs among binary compounds and discuss the contradictions between different theoretical calculations and experimental data. We synthesized yttrium hydrides with the compositions of YH3, YH4, YH6 and YH9 in a diamond anvil cell and studied their crystal structures, electrical and magnetic transport properties, and isotopic effects. We found superconductivity in the Im-3m YH6 and P63/mmc YH9 phases with maximal Tcs of ∼220 K at 183 GPa and ∼243 K at 201 GPa, respectively. Fm-3m YH10 with the highest predicted Tc > 300 K was not observed in our experiments, and instead, YH9 was found to be the hydrogen-richest yttrium hydride in the studied pressure and temperature range up to record 410 GPa and 2250 K.
Through a series of high pressure diamond anvil experiments,
we
report the synthesis of alkaline earth (Ca, Sr, Ba) tetrahydrides,
and investigate their properties through Raman spectroscopy, X-ray
diffraction, and density functional theory calculations. The tetrahydrides
incorporate both atomic and quasi-molecular hydrogen, and we find
that the frequency of the intramolecular stretching mode of the
units downshifts from Ca to Sr and to Ba
upon compression. The experimental
results indicate that the larger the host cation, the longer the
bond. Analysis of the electron localization
function (ELF) demonstrates that the lengthening of the H–H
bond is caused by the charge transfer from the metal to
and by the steric effect of the metal host
on the H–H bond. This effect is most prominent for BaH
4
, where the precompression of
units at 50 GPa results in bond lengths
comparable to that of pure H
2
above 275 GPa.
The reaction of tantalum with molecular hydrogen was studied by x-ray diffraction in a diamond-anvil cell at room temperature and pressures from 1 to 41 GPa. At pressures up to 5.5 GPa, a substoichiometric tantalum monohydride with a distorted bcc structure was shown to be stable. Its hydrogen content gradually increased with the pressure increase, reaching H/Ta = 0.92(5) at 5 GPa. At higher pressures, a new dihydride phase of tantalum was formed. This phase had an hcp metal lattice, and its hydrogen content was virtually independent of pressure. When the pressure was decreased, the tantalum dihydride thus obtained transformed back to the monohydride at P = 2.2 GPa. Single-phase samples of tantalum dihydride also were synthesized at a hydrogen pressure of 9 GPa in a toroid-type high-pressure apparatus, quenched to the liquid-N 2 temperature, and studied at ambient pressure. X-ray diffraction showed them to have an hcp metal lattice with a = 3.224(3) and c = 5.140(5)Å at T = 85 K. The hydrogen content determined by thermal desorption was H/Ta = 2.2(1).
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